Structure Database (LMSD)

Common Name
Gallicynoic acid H
Systematic Name
9S,12R-dihydroxy-hexadeca-10-ynoic acid
Synonyms
LM ID
LMFA01050571
Formula
C16H28O4
Exact Mass
Calculate m/z
284.19876
Sum Composition
FA 16:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
VAEJVKIWYRYFDG-CABCVRRESA-N
InChi (Click to copy)
InChI=1S/C16H28O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h14-15,17-18H,2-11H2,1H3,(H,19,20)/t14-,15+/m1/s1
SMILES (Click to copy)
C(CCC[C@H](O)C#C[C@H](O)CCCC)CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Coriolopsis gallica (#76126)
Agaricomycetes (#155619)
Gallicynoic acids A-I, acetylenic acids from the basidiomycete Coriolopsis gallica.,
J Nat Prod, 2008
Pubmed ID: 18247526

Other Databases

PubChem CID
24800368

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 312.60
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.29
Molar Refractivity 80.29

Admin

Created at
5th Jun 2020
Updated at
5th Jun 2020